Molecular Dynamics Simulation of Cellulose I–Ethylenediamine Complex Crystal Models

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.9b08153 ◽

2019 ◽

Vol 124 (1) ◽

pp. 134-143

Author(s):

Takuya Uto ◽

Meguru Minamizaki ◽

Toshifumi Yui

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Cellulose I ◽

Ethylenediamine Complex ◽

Complex Crystal

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Studies on Influence of Ammonia on Properties of Cellulose I-β Based on Molecular Dynamics Simulation

Acta Polymerica Sinica ◽

10.3724/sp.j.1105.2014.13185 ◽

2014 ◽

Vol 014 (2) ◽

pp. 188-193 ◽

Author(s):

Huang Shuang ◽

Sun Yi-ze ◽

Xu Yang ◽

Meng Zhuo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

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Diversity of potential hydrogen bonds in cellulose I revealed by molecular dynamics simulation

Cellulose ◽

10.1007/s10570-013-0053-x ◽

2013 ◽

Vol 21 (2) ◽

pp. 897-908 ◽

Author(s):

Pan Chen ◽

Yoshiharu Nishiyama ◽

Jean-Luc Putaux ◽

Karim Mazeau

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Hydrogen Bonds ◽

Dynamics Simulation ◽

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Extended ensemble molecular dynamics study of cellulose I–ethylenediamine complex crystal models: atomistic picture of desorption behaviors of ethylenediamine

Cellulose ◽

10.1007/s10570-021-04136-7 ◽

2021 ◽

Author(s):

Toshifumi Yui ◽

Takuya Uto

Keyword(s):

Molecular Dynamics ◽

Cellulose I ◽

Ethylenediamine Complex ◽

Complex Crystal

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Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

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Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

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Nonequilibrium effects in electron-ion strongly coupled plasmas. Molecular dynamics simulation

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:2000545 ◽

2000 ◽

Vol 10 (PR5) ◽

pp. Pr5-255-Pr5-258 ◽

Author(s):

G. E. Norman ◽

A. A. Valuev ◽

I. A. Valuev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

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A molecular dynamics simulation for an ODIC phase. - III. Analysis of the correlation functions

Journal de Physique ◽

10.1051/jphys:01987004805082100 ◽

1987 ◽

Vol 48 (5) ◽

pp. 821-835 ◽

Author(s):

Ph. Buchet ◽

R.M. Pick

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Correlation Functions ◽

Dynamics Simulation ◽

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ROLE OF THE CONSERVATIVE INTERHELICAL HYDROGEN BOND SER74-TRP158 AT THE CHOLESTEROL BINDING SITE IN THE CONFORMATIONAL STABILITY OF THE b2-ADRENERGIC RECEPTOR: MOLECULAR DYNAMICS SIMULATION

Журнал структурной химии ◽

10.15372/jsc20170224 ◽

2017 ◽

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Molecular Dynamics Simulation ◽

Binding Site ◽

Adrenergic Receptor ◽

Conformational Stability ◽

Dynamics Simulation ◽

Cholesterol Binding

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SCALE INHIBITION OF SODIUM CARBOXYMETHYL CELLULOSE AT DIFFERENT GROWTH STAGES BASED ON MOLECULAR DYNAMICS SIMULATION

Heat Transfer Research ◽

10.1615/heattransres.2020033226 ◽

2020 ◽

Vol 51 (16) ◽

pp. 1455-1464

Author(s):

Yu Zhao ◽

Shanshan He ◽

Zhiming Xu ◽

Bingbing Wang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Carboxymethyl Cellulose ◽

Dynamics Simulation ◽

Sodium Carboxymethyl Cellulose ◽

Growth Stages ◽

Scale Inhibition ◽

Different Growth Stages

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